Chemical ID: 5466118

Cc1cccc(c1)CSc2nnc(n2c3ccccc3)c4ccco4
Chemical ID:
5466118
Name [?]:
3-(2-furyl)-5-(m-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazole
SMILES [?]:
Cc1cccc(c1)CSc2nnc(n2c3ccccc3)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.6596
Area:558.925
Solvation:-2.31349
Coulombic:-23.3608
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.435
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.21
LogP (Chemaxon):5.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue